2-[1-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-1,2,3-triazol-4-yl]ethoxycarbonylsulfamic acid

Systemtic Name: 2-[1-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-1,2,3-triazol-4-yl]ethoxycarbonylsulfamic acid Openeye Name: 2-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]triazol-4-yl]ethoxycarbonylsulfamic acid CAS Name: [2-[1-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-triazolyl]ethoxy-oxomethyl]sulfamic acid IUPAC Name: 2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]ethoxycarbonylsulfamic acid Traditional Name: 2-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]triazol-4-yl]ethoxycarbonylsulfamic acid Formula: C11H15N7O5S MolecularWeight: 357.3457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CN2C=C(N=N2)CCOC(=O)NS(=O)(=O)O

Isomeric SMILES

CC1=NC=C(C(=N1)N)CN2C=C(N=N2)CCOC(=O)NS(=O)(=O)O

InChI

InChI=1S/C11H15N7O5S/c1-7-13-4-8(10(12)14-7)5-18-6-9(15-17-18)2-3-23-11(19)16-24(20,21)22/h4,6H,2-3,5H2,1H3,(H,16,19)(H2,12,13,14)(H,20,21,22)